(5R,6S)-6-(hydroxymethyl)-5-naphthalen-1-yl-1-(phenylmethyl)piperazine-2,3-dione

Systemtic Name: (5R,6S)-6-(hydroxymethyl)-5-naphthalen-1-yl-1-(phenylmethyl)piperazine-2,3-dione Openeye Name: (5R,6S)-1-benzyl-6-(hydroxymethyl)-5-(1-naphthyl)piperazine-2,3-dione CAS Name: (5R,6S)-6-(hydroxymethyl)-5-(1-naphthalenyl)-1-(phenylmethyl)piperazine-2,3-dione IUPAC Name: (5R,6S)-1-benzyl-6-(hydroxymethyl)-5-naphthalen-1-ylpiperazine-2,3-dione Traditional Name: (5R,6S)-1-benzyl-6-methylol-5-(1-naphthyl)piperazine-2,3-quinone Formula: C22H20N2O3 MolecularWeight: 360.4058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(C(NC(=O)C2=O)C3=CC=CC4=CC=CC=C43)CO

Isomeric SMILES

C1=CC=C(C=C1)CN2[C@@H]([C@H](NC(=O)C2=O)C3=CC=CC4=CC=CC=C43)CO

InChI

InChI=1S/C22H20N2O3/c25-14-19-20(18-12-6-10-16-9-4-5-11-17(16)18)23-21(26)22(27)24(19)13-15-7-2-1-3-8-15/h1-12,19-20,25H,13-14H2,(H,23,26)/t19-,20-/m1/s1